CHEMBL205531


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey MSUZJNFNBRXSAD-GRXQJBFDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 458.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 5.26 5.26 5.26 ChEMBL
A3 AA3R Human Adenosine A pKi 8.72 8.72 8.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 7.36 7.36 7.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database